SCHEMBL4889624

SCHEMBL4889624

Nc1n[nH]c2ccc(-c3ccc(C(=O)NCc4cccc(Cl)c4)s3)cc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.54
DYRK1B Q9Y463 6/20 0.54
MAPK1 P28482 2/20 0.53
MAPK3 P27361 1/20 0.53
JAK2 O60674 3/20 0.50
PDPK1 O15530 1/20 0.49
ESRRG P62508 2/20 0.48
JAK1 P23458 1/20 0.47
MAPT P10636 1/20 0.46
ACKR3 P25106 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
F10 P00742 1/20 0.44
ROCK2 O75116 1/20 0.43
C3AR1 Q16581 1/20 0.43
MAOB P27338 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4886869 0.90 ESRRG (0.54) DYRK1ADYRK1BJAK2ESRRGACKR3
SCHEMBL4899126 0.86 ROCK2 (0.60) DYRK1AMAPK1PDPK1MAPTROCK2
SCHEMBL922525 0.81 MAPK1 (0.74) MAPK1MAPK3JAK2JAK1ROCK2
SCHEMBL4894925 0.80 MAPK1 (0.54) MAPK1MAPK3JAK2JAK1MAPT
SCHEMBL4890315 0.79 MAPK1 (0.52) MAPK1MAPK3JAK2JAK1MAPT
SCHEMBL4932331 0.78 DYRK1A (0.59) DYRK1ADYRK1BMAPK1MAPK3ESRRG
SCHEMBL4897201 0.78 MAPK1 (0.52) MAPK1MAPK3JAK2JAK1ROCK2
SCHEMBL4039865 0.77 JAK2 (0.67) MAPK1MAPK3JAK2JAK1
SCHEMBL13925604 0.76 JAK2 (0.58) JAK2ESRRGJAK1MAPTESR1
SCHEMBL4037077 0.76 MAPK1 (0.51) MAPK1MAPK3JAK2JAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US claimed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US claimed
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans SGK1, SGK2, SGK3 DYRK1A 585/4885DYRK1B 540/4885MAPK1 142/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.